HPCE/spack-psi
0
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

FIX: remove old compilers

Browse Source
This commit is contained in:
Gitea Actions
2025-11-26 11:05:12 +01:00
parent b227d9deba
commit 981e93dae4
4 changed files with 86 additions and 105 deletions
Download Patch File Download Diff File Expand all files Collapse all files

98
env/sles15/x86_64/admin/unstable/spack.yaml vendored
View File

@@ -25,51 +25,55 @@ spack:
set:
SLURM_MPI_TYPE: pmix
specs:
- arpack-ng@3.9.1/aapiazg
- boost@1.82.0/cawp3cu
- castep@25.12/chorual
- cp2k@2024.1/2jesise #~cuda
- cp2k@2024.1/zqm5fme #+cuda
- cp2k@2025.2/yb6gcql #~cuda
- cp2k@2025.2/hkub3ev #+cuda +sirius A100
- dmtcp@3.0.0/e76t6c5
- fastqc@0.12.1/eyuqqvf
- ffbidx@main/lfacuhw
- fpart@1.6.0/di4akxx
- gams@49.1/vztjqs4
- geant4@11.2.1/nkib2pg
- geant4@11.3.2/aumxzp6
- ghostscript@10.04.0/27dgytn
- ghostscript@10.04.0/sqkkzjs
- gromacs@2024.1/3n7qspb #+cuda
- gromacs@2025.2/vbj4i76
- gromacs@2025.2/whcqszb
- hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
- hdf5@1.14.3/yrxkczx
- libgd@2.3.3/jdywifq
- lammps@20250722/37gso73 #~cuda
- lammps@20250722/xcaf2uy #+cuda
- nvhpc@25.3/wcwfa56
- opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
- opal-x@master/cbgsfxb #+cuda cuda_arch=80
- opal@2024.1.0/mhg3mdx
- osu-micro-benchmarks@7.5/exsxjam
- osu-micro-benchmarks@7.5/miy6mrp
- osu-micro-benchmarks@7.5/tlphstf
- py-alphafold@2.3.2/xkw7tfm #+cuda
- py-pymol@3.1.0/5qcfphh
- q-e-sirius@1.0.1/dtn4jr4 #~cuda
- q-e-sirius@1.0.1/7snvzfr #+cuda
- quantum-espresso@7.3.1/n6mulig #~cuda
- quantum-espresso@7.4.0/m7bevi7
- quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu
- quantum-espresso@7.4.1/qasxcxt
- relion@4.0.1/ve5sish
- root@6.34.06/2wo4ykf
- sratoolkit@3.1.1/7oqp6a3
- star@2.7.11a/gdgr2ea
- sundials@7.0.0/xxysszi #+cuda+mpi+openmp cuda_arch=80
- valgrind@3.24.0/eicvdsq
- valgrind@3.24.0/eicvdsq
- visit@3.4.1/h3a6tat
- arpack-ng@3.9.1/aapiazg
- boost@1.82.0/cawp3cu
- castep@25.12/chorual
- cp2k@2024.1/2jesise #~cuda
- cp2k@2024.1/zqm5fme #+cuda
- cp2k@2025.2/yb6gcql #~cuda
- cp2k@2025.2/hkub3ev #+cuda +sirius A100
- dmtcp@3.0.0/e76t6c5
- fastqc@0.12.1/eyuqqvf
- ffbidx@main/lfacuhw
- fpart@1.6.0/di4akxx
- gams@49.1/vztjqs4
- geant4@11.2.1/nkib2pg
- geant4@11.3.2/aumxzp6
- ghostscript@10.04.0/27dgytn
- ghostscript@10.04.0/sqkkzjs
- gromacs@2024.1/3n7qspb #+cuda
- gromacs@2025.2/vbj4i76
- gromacs@2025.2/whcqszb
- gromacs@2025.3/6ken64l
- gromacs@2025.3/ohljtmq #+cuda
- hdf5@1.14.3/wqcdnm7 #+mpi ^openmpi@5.0.3%gcc@12.3
- hdf5@1.14.3/yrxkczx
- intel-oneapi-compilers-classic@2021.6.0 # for rizzi_n, don't remove
- libgd@2.3.3/jdywifq
- lammps@20250722/37gso73 #~cuda
- lammps@20250722/xcaf2uy #+cuda
- nvhpc@25.3/wcwfa56
- opal-x@fixSolverUnits/q4ulqv3 #+cuda cuda_arch=80
- opal-x@master/cbgsfxb #+cuda cuda_arch=80
- opal@2024.1.0/mhg3mdx
- osu-micro-benchmarks@7.5/exsxjam
- osu-micro-benchmarks@7.5/miy6mrp
- osu-micro-benchmarks@7.5/tlphstf
- py-alphafold@2.3.2/xkw7tfm #+cuda
- py-pymol@3.1.0/5qcfphh
- q-e-sirius@1.0.1/dtn4jr4 #~cuda
- q-e-sirius@1.0.1/7snvzfr #+cuda
- quantum-espresso@7.3.1/n6mulig #~cuda
- quantum-espresso@7.4.0/m7bevi7
- quantum-espresso@7.4.1/nxswsd7 #+cuda +mpi +mpigpu
- quantum-espresso@7.4.1/qasxcxt
- relion@4.0.1/ve5sish
- root@6.34.06/2wo4ykf
- scorep@9.3/me7y4yx #+cuda +openmp +shmem +papi
- sratoolkit@3.1.1/7oqp6a3
- star@2.7.11a/gdgr2ea
- sundials@7.0.0/xxysszi #+cuda+mpi+openmp cuda_arch=80
- valgrind@3.24.0/eicvdsq
- valgrind@3.24.0/eicvdsq
- visit@3.4.1/h3a6tat
view: false